Mls002706965
Basic information
- CAS
22258-69-1- Standard SMILES
O=C(OCCn1c(=S)sc2ccccc21)c1ccccc1- InChIKey
GBNWQUSKWYWHPS-UHFFFAOYSA-N- Molecular formula
- C16H13NO2S2
- Average molar mass
- 315.4 g/mol
- Monoisotopic mass
- 315.038771
Names & identifiers
- Preferred name
- Mls002706965
- IUPAC
- 2-(2-sulfanylidene-1,3-benzothiazol-3-yl)ethyl benzoate
Names & synonyms
MLS00270696522258-69-1DTXSID00298006RefChem:357241DTXCID90249143NSC120042CHEMBL1699314NSC-120042SMR0015743612-(2-Sulfanylidene-1,3-benzothiazol-3(2H)-yl)ethyl benzoate
Database identifiers
- CAS
22258-69-1- PubChem CID
- 274196
- DTXSID
DTXSID00298006- ChEMBL
CHEMBL1699314
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 396
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Related reactions
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Compound notes
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